7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridine-1-carboxamide

C26H22N6O — CID 44549015

IUPAC7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridine-1-carboxamide
SMILESNC(=O)c1nnc2ccc3nc(-c4ccc(C5(N)CCC5)cc4)c(-c4ccccc4)cc3n12
InChIInChI=1S/C26H22N6O/c27-24(33)25-31-30-22-12-11-20-21(32(22)25)15-19(16-5-2-1-3-6-16)23(29-20)17-7-9-18(10-8-17)26(28)13-4-14-26/h1-3,5-12,15H,4,13-14,28H2,(H2,27,33)
InChIKeyISWFTRXDGXPPHN-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.05
Rot. Bonds4

About 7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridine-1-carboxamide

7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridine-1-carboxamide (PubChem CID 44549015) has the molecular formula C26H22N6O and a molecular weight of 434.50 g/mol. Its IUPAC name is 7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridine-1-carboxamide.

Molecular Properties

Compound Name7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridine-1-carboxamide
PubChem CID44549015
Molecular FormulaC26H22N6O
Molecular Weight434.50 g/mol
Exact Mass434.19
IUPAC Name7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridine-1-carboxamide
SMILESNC(=O)c1nnc2ccc3nc(-c4ccc(C5(N)CCC5)cc4)c(-c4ccccc4)cc3n12
InChIInChI=1S/C26H22N6O/c27-24(33)25-31-30-22-12-11-20-21(32(22)25)15-19(16-5-2-1-3-6-16)23(29-20)17-7-9-18(10-8-17)26(28)13-4-14-26/h1-3,5-12,15H,4,13-14,28H2,(H2,27,33)
InChIKeyISWFTRXDGXPPHN-UHFFFAOYSA-N
XLogP4.05
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridine-1-carboxamide?
The IUPAC name of 7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridine-1-carboxamide (CID 44549015) is 7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridine-1-carboxamide.
What is the SMILES notation for 7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridine-1-carboxamide?
The canonical SMILES for 7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridine-1-carboxamide is NC(=O)c1nnc2ccc3nc(-c4ccc(C5(N)CCC5)cc4)c(-c4ccccc4)cc3n12.
What is the InChIKey of 7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridine-1-carboxamide?
The InChIKey is ISWFTRXDGXPPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O/c27-24(33)25-31-30-22-12-11-20-21(32(22)25)15-19(16-5-2-1-3-6-16)23(29-20)17-7-9-18(10-8-17)26(28)13-4-14-26/h1-3,5-12,15H,4,13-14,28H2,(H2,27,33).
What are the key properties of 7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridine-1-carboxamide?
7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridine-1-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridine-1-carboxamide is sourced from PubChem (CID 44549015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).